BDBM50044654 CHEMBL3353346::US9907800, Example A62
SMILES: COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CCCCC6)nc5)n[nH]c4c3)c2c1
InChI Key:
Data: 5 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50044654 (CHEMBL3353346 | US9907800, Example A62) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
EntreMed Inc. Curated by ChEMBL | Assay Description Inhibition of CYP2C9 (unknown origin) using MFC substrate after 45 mins by fluorescence assay | J Med Chem 58: 130-46 (2015) Article DOI: 10.1021/jm5005336 BindingDB Entry DOI: 10.7270/Q2125V9W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50044654 (CHEMBL3353346 | US9907800, Example A62) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
EntreMed Inc. Curated by ChEMBL | Assay Description Inhibition of CYP2C19 (unknown origin) using MFC substrate after 30 mins by fluorescence assay | J Med Chem 58: 130-46 (2015) Article DOI: 10.1021/jm5005336 BindingDB Entry DOI: 10.7270/Q2125V9W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aurora kinase B (Homo sapiens (Human)) | BDBM50044654 (CHEMBL3353346 | US9907800, Example A62) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | US Patent | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute | Assay Description Aurora B inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr... | J Med Chem 50: 3359-68 (2007) BindingDB Entry DOI: 10.7270/Q2KD216W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human)) | BDBM50044654 (CHEMBL3353346 | US9907800, Example A62) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | US Patent | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute | Assay Description PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP... | J Med Chem 50: 3359-68 (2007) BindingDB Entry DOI: 10.7270/Q2KD216W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human)) | BDBM50044654 (CHEMBL3353346 | US9907800, Example A62) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
EntreMed Inc. Curated by ChEMBL | Assay Description Inhibition of human N-terminal GST-tagged PLK4 (1 to 391 residues) expressed in Escherichia coli incubated for 30 mins by ELISA method | J Med Chem 58: 130-46 (2015) Article DOI: 10.1021/jm5005336 BindingDB Entry DOI: 10.7270/Q2125V9W | |||||||||||
More data for this Ligand-Target Pair |